4-[ethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid

C12H26N2O2 — CID 64727241

IUPAC4-[ethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
SMILESCCN(C)C(C)CC(C)(NC(C)C)C(=O)O
InChIInChI=1S/C12H26N2O2/c1-7-14(6)10(4)8-12(5,11(15)16)13-9(2)3/h9-10,13H,7-8H2,1-6H3,(H,15,16)
InChIKeyZLMSUDUMHIAGFW-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.56
Rot. Bonds7

About 4-[ethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid

4-[ethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid (PubChem CID 64727241) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
PubChem CID64727241
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name4-[ethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
SMILESCCN(C)C(C)CC(C)(NC(C)C)C(=O)O
InChIInChI=1S/C12H26N2O2/c1-7-14(6)10(4)8-12(5,11(15)16)13-9(2)3/h9-10,13H,7-8H2,1-6H3,(H,15,16)
InChIKeyZLMSUDUMHIAGFW-UHFFFAOYSA-N
XLogP1.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[ethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(ethylamino)-4-[ethyl(methyl)amino]-2-methylpentanoic acid
CID 64727236
2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoic acid
CID 81074022
2-methyl-4-[methyl(2-methylsulfonylethyl)amino]-2-(propan-2-ylamino)pentanoic acid
CID 79858080
4-[ethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64727424
4-[cycloheptyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64711759
4-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 107771716
2-methyl-2-(methylamino)-4-[methyl(2-methylbutyl)amino]pentanoic acid
CID 64711907
4-[2-ethoxyethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanamide
CID 81061737
4-butoxy-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64706677
2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoic acid
CID 64725842
2-methyl-4-(3-methylbutan-2-ylsulfanyl)-2-(propan-2-ylamino)pentanoic acid
CID 107755844
4-[cyclopropyl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64709693

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The IUPAC name of 4-[ethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid (CID 64727241) is 4-[ethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid.
What is the SMILES notation for 4-[ethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The canonical SMILES for 4-[ethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid is CCN(C)C(C)CC(C)(NC(C)C)C(=O)O.
What is the InChIKey of 4-[ethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The InChIKey is ZLMSUDUMHIAGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-7-14(6)10(4)8-12(5,11(15)16)13-9(2)3/h9-10,13H,7-8H2,1-6H3,(H,15,16).
What are the key properties of 4-[ethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid?
4-[ethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid has a molecular weight of 230.35 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid is sourced from PubChem (CID 64727241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).